Aphelandrine; (+)-form, N6-Acetoxy
AlkaPlorer ID: AK288934
Synonym: N6-Acetoxyaphelandrine
IUPAC Name: [17-(4-hydroxyphenyl)-19,24-dioxo-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-trien-6-yl] acetate
Structure
SMILES: CC(=O)ON1CCCCN2CCCN=C(O)CC(NCCC1)C1=CC=C3OC(C4=CC=C(O)C=C4)C(C2=O)C3=C1
InChI: InChI=1S/C30H38N4O6/c1-20(35)40-34-16-3-2-14-33-15-4-13-32-27(37)19-25(31-12-5-17-34)22-8-11-26-24(18-22)28(30(33)38)29(39-26)21-6-9-23(36)10-7-21/h6-11,18,25,28-29,31,36H,2-5,12-17,19H2,1H3,(H,32,37)
InChIKey: XOZCWGXALVYMRD-UHFFFAOYSA-N
Reference
Two macrocyclic spermine alkaloids from Aphelandra fuscopunctata (Acanthaceae)
PubChem CID: 163049418
CAS: 259813-08-6
LOTUS: LTS0036588
COCONUT: CNP0332534.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aphelandra | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 550.6560000000002
TPSA？: 123.93
MolLogP？: 3.783100000000003
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|